SCHEMBL5045183

SCHEMBL5045183

CCO[C@H](C(=O)NCc1ccc(C#N)cc1)c1c(F)cc(Oc2ccccc2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SCN5A Q14524 1/20 0.40
SCN9A Q15858 1/20 0.40
F10 P00742 1/20 0.39
PPARG P37231 3/20 0.39
PPARA Q07869 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
EPHX2 P34913 1/20 0.38
MAPK14 Q16539 1/20 0.38
PKM P14618 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PPARD Q03181 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
KLKB1 P03952 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5045182 1.00 SLC1A3 (0.41) SLC1A3SLC1A2SCN5ASCN9AF10
SCHEMBL5041919 0.89 F10 (0.45) SLC1A3SLC1A2SCN5ASCN9AF10
SCHEMBL5041913 0.89 F10 (0.45) SLC1A3SLC1A2SCN5ASCN9AF10
SCHEMBL5037965 0.88 SLC1A3 (0.42) SLC1A3SLC1A2SCN5ASCN9APPARA
SCHEMBL5037967 0.88 SLC1A3 (0.42) SLC1A3SLC1A2SCN5ASCN9APPARA
SCHEMBL5037500 0.88 VNN1 (0.42) F10EPHX2HIF1A
SCHEMBL5037504 0.88 VNN1 (0.42) F10EPHX2HIF1A
Hydrochloric Acid SCHEMBL5038115 0.87 F10 (0.47) F10PPARAEPHX2CARM1PRMT6
Hydrochloric Acid SCHEMBL5038108 0.87 F10 (0.47) F10PPARAEPHX2CARM1PRMT6
SCHEMBL5037390 0.86 SMN1; SMN2 (0.38) SLC1A3SLC1A2SCN5ASCN9AF10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567498-B1 MANDELIC ACID DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-23 EP disclosed
US-7129238-B2 Mandelic acid derivatives HOFFMANN-LA ROCHE INC. (US) 2006-10-31 US disclosed
EP-1567498-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-08-31 EP disclosed
US-20040122057-A1 Novel mandelic acid derivatives HOFFMANN-LA ROCHE INC. 2004-06-24 US disclosed
WO-2004048335-A2 MANDELIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-06-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040122057-A1 Novel mandelic acid derivatives F7, F11, F9 SLC1A3 2652/4885SLC1A2 2127/4885SCN5A 2957/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.